NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2383 8.2644 123.5750 51.8354 18.8175 174.4719 1 V 4.1965 7.6747 119.5238 60.5221 34.0194 173.1720 2 N 5.0967 9.5086 124.6745 50.7215 42.5945 173.2603 3 D 4.8256 8.6215 119.3790 56.6232 41.0995 177.6339 4 G 4.2751 9.3630 113.1833 45.0849 0.0000 173.5029 5 D 4.6861 8.1991 120.4676 54.8444 41.8591 175.4533 6 M 5.9055 8.7271 120.8883 54.0791 36.1832 174.5942 7 R 4.7882 9.2458 115.0730 55.4052 33.3064 173.6299 8 L 5.2240 8.4975 119.8928 53.2093 43.7733 175.6842 9 A 4.5627 8.4592 123.8935 50.2798 23.0712 175.4348 10 D 4.4627 8.6801 116.1722 55.3521 38.5516 175.2996 11 G 3.7914 7.4617 106.7219 44.9080 0.0000 174.7963 12 G 4.0259 7.8458 114.9824 45.1828 0.0000 174.5304 13 A 4.3952 7.2018 123.0467 50.4941 20.0301 177.3403 14 T 4.2205 8.2742 108.6255 63.0315 69.6736 175.1729 15 N 4.0440 7.7285 119.8959 51.7643 37.9483 174.0206 16 Q 4.5765 6.6493 114.3696 55.2688 31.0665 173.9606 17 G 3.4275 6.6645 107.1277 44.3568 0.0000 171.2043 18 R 4.5601 8.0790 120.9418 56.0589 31.1782 175.9386 19 V 4.3500 8.3071 126.9228 62.7314 32.2555 175.0090 20 E 5.2006 9.5179 127.2442 54.7088 33.4581 174.7691 21 I 5.3143 9.0646 122.2287 59.4500 42.2031 173.5713 22 F 4.3841 8.7909 130.5842 57.1030 41.3807 174.1257 23 Y 4.2216 7.5703 125.4176 56.9156 42.2935 174.8584 24 R 3.2752 8.8954 128.1746 57.0154 28.1853 177.1937 25 G 3.9844 7.7519 104.9768 44.8242 0.0000 172.9777 26 Q 4.6750 7.0141 116.6212 54.3065 32.5296 173.9671 27 W 5.1394 8.9511 119.6609 55.7213 31.4627 175.6060 28 G 4.4139 9.0915 109.4929 45.9192 0.0000 170.9173 29 T 5.2387 8.5335 110.2858 59.9525 72.2547 173.1930 30 V 4.7230 7.8095 119.8632 61.0602 34.4951 175.3773 31 C 4.7447 8.9678 128.6278 56.4176 45.9259 173.4801 32 D 4.4152 8.8411 123.5639 54.1626 40.5910 175.6938 33 N 4.4915 7.8039 118.6001 54.8733 38.5585 175.4257 34 L 3.7083 8.7034 122.2876 54.6671 39.9838 174.4863 35 W 4.5022 8.3394 130.2146 57.5417 30.9441 174.7330 36 D 4.8264 7.8395 124.7552 50.5680 42.2469 175.9373 37 L 3.8085 8.1683 118.7905 58.5286 41.6044 179.0111 38 T 3.8093 7.6462 114.8024 66.3757 68.5949 176.0307 39 D 4.1865 8.3318 121.0168 57.1608 40.7186 178.5945 40 A 3.9617 7.2432 121.4321 55.1480 18.2887 179.8571 41 S 4.1170 8.1537 112.7028 61.2992 63.1477 176.9765 42 V 3.5690 7.4385 122.1047 65.7037 31.2605 178.1604 43 V 3.6734 7.7560 117.4639 66.2777 31.5403 178.3295 44 C 4.4922 8.3689 116.1775 60.4630 41.3211 176.5589 45 R 4.6472 8.5698 120.5975 58.7986 29.3885 179.0205 46 A 4.0711 7.8457 119.5602 54.8747 18.4582 178.7520 47 L 4.3974 7.8388 114.7024 54.8303 41.8784 177.7004 48 G 3.6576 8.2282 107.9508 45.4782 0.0000 173.3943 49 F 5.0074 8.1499 118.3252 55.2055 41.2359 176.9925 50 E 3.9721 8.8928 122.4783 59.6002 29.4707 176.5335 51 N 4.4262 8.1226 114.9347 53.1273 42.5494 171.9841 52 A 5.1797 8.4497 121.6615 50.6928 20.3687 176.9084 53 T 4.4957 9.0741 110.3532 62.3081 71.1453 174.8243 54 Q 4.6824 7.9507 119.6512 54.2409 33.6738 173.4716 55 A 5.1083 8.7395 124.6355 50.4868 20.8784 175.5341 56 L 4.8087 9.4108 122.7099 53.7493 44.7957 176.8960 57 G 4.1622 8.0120 109.6209 45.5227 0.0000 172.1145 58 R 3.7159 10.0181 114.0461 56.9821 28.7202 176.1783 59 A 3.8171 7.8935 114.4703 53.1528 16.7352 179.4368 60 A 3.8835 7.6519 123.1885 54.5791 18.9523 179.0517 61 F 4.7836 8.0536 113.6306 57.1121 39.7406 176.8695 62 G 4.1544 7.9082 104.3332 45.7709 0.0000 174.1794 63 Q 4.2357 8.3161 118.7230 55.3349 29.7740 177.0021 64 G 4.0714 8.9705 111.7917 44.6197 0.0000 172.0716 65 S 4.3084 8.0372 114.7983 57.3719 66.9774 173.6066 66 G 3.9363 8.6353 109.1414 44.0037 0.0000 171.1209 67 P 4.5740 0.0000 0.0000 62.5602 33.2687 175.8462 68 I 4.0977 8.1803 121.9240 61.2212 37.6664 176.6466 69 M 4.3811 9.4045 128.6833 57.9349 32.8737 176.7121 70 L 5.0145 7.6368 116.3659 53.2456 46.5178 174.8626 71 D 4.6741 8.5456 118.0054 53.5276 44.8298 174.4464 72 E 4.4926 8.6401 120.0163 56.2954 27.1525 175.0869 73 V 3.9749 7.8084 117.3245 63.2039 32.4231 176.1658 74 Q 4.4966 9.5366 127.5603 54.2895 30.1620 173.8422 75 C 4.7334 9.1885 121.0905 55.9385 41.4674 174.0515 76 T 3.8136 9.1316 111.6639 62.1630 69.0806 175.9428 77 G 4.0194 8.3617 109.9221 45.5778 0.0000 174.3266 78 T 4.3931 7.1985 107.1392 61.3207 69.3149 174.9079 79 E 4.2011 7.8056 121.4886 56.2669 30.2326 176.7754 80 A 4.2012 8.4804 124.3835 54.7210 19.1905 177.5477 81 S 4.7306 7.4436 105.8001 56.8717 65.9344 174.9654 82 L 4.0781 8.6334 123.2915 57.4276 41.6066 179.5958 83 A 3.6965 7.9058 121.0619 54.5998 18.3395 177.7850 84 D 4.6690 7.8172 113.4982 54.7846 41.3545 175.8484 85 C 4.7281 7.5845 117.2266 55.3834 40.3665 173.3688 86 K 4.3089 8.1893 122.0172 57.0635 32.9422 176.3409 87 S 4.8399 7.8196 119.2475 58.7717 64.9547 173.5601 88 L 4.1268 7.9528 118.9030 55.2658 42.1540 177.3544 89 G 3.9531 7.9007 106.6225 43.8853 0.0000 173.4320 90 W 4.4019 8.2362 119.7366 58.1129 29.2396 176.5784 91 L 3.8500 8.8882 121.3339 54.8567 39.3736 174.2222 92 K 4.3138 7.5447 120.5727 55.5869 32.0343 175.5560 93 S 4.6397 7.8520 117.9110 58.2334 64.7054 175.4210 94 N 4.8523 8.7123 121.1955 53.1655 39.3765 175.8150 95 C 4.5643 7.8956 116.3803 56.6677 42.3060 172.6118 96 R 4.6760 7.9217 119.2016 54.3270 32.8510 176.9565 97 H 4.6067 8.8254 114.9816 57.7023 28.8159 177.2704 98 E 4.1898 8.1918 116.8399 57.9137 29.9948 177.6516 99 R 4.6140 8.0644 118.7236 55.9629 31.3531 175.5347 100 D 4.8240 7.9994 120.9695 54.8778 41.8227 176.2098 101 A 4.1073 8.7667 126.1099 51.8060 19.9415 176.2435 102 G 4.6426 9.1912 106.6254 45.2300 0.0000 171.4698 103 V 5.3916 8.9598 111.6382 59.9265 37.0695 174.8026 104 V 4.5534 8.7313 121.3809 61.6567 34.1596 174.3617 105 C 5.2290 8.9100 125.9532 55.1048 42.5026 173.7079 106 T 4.1363 8.4913 111.1047 61.9001 68.4464 174.8788 107 N 4.4617 8.8221 121.0152 55.9953 39.2396 176.0791 108 E 4.1640 8.1590 116.8601 56.7337 30.2747 176.5259 109 T 5.1473 8.1413 120.1818 61.3855 67.2826 173.7146 *114 T 4.1028 7.5959 118.0590 61.6593 68.9702 173.6738 115 L 4.3301 8.2345 123.7701 54.9615 41.9416 176.7036 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 A 8.26 4.24 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 V 7.67 4.20 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.91 0.00 0.00 2 N 9.51 5.10 0.00 2.75 2.69 0.00 0.00 6.76 8.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.62 4.83 0.00 2.73 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 9.36 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.20 4.69 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 M 8.73 5.91 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.69 0.00 7 R 9.25 4.79 0.00 1.72 1.91 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.43 0.00 8 L 8.50 5.22 0.00 1.50 1.50 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.46 4.56 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.68 4.46 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 7.46 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.85 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.20 4.40 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.27 4.22 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 15 N 7.73 4.04 0.00 1.85 2.21 0.00 0.00 5.82 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 6.65 4.58 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.09 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 17 G 6.66 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.08 4.56 0.00 1.98 1.83 0.00 3.27 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 19 V 8.31 4.35 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.06 0.00 0.00 20 E 9.52 5.20 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 21 I 9.06 5.31 2.08 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.89 1.13 0.00 0.00 22 F 8.79 4.38 0.00 1.51 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.57 4.22 0.00 1.79 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.90 3.28 0.00 0.92 1.38 0.00 2.50 0.00 0.00 2.81 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 25 G 7.75 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.01 4.68 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.72 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 27 W 8.95 5.14 0.00 3.27 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 G 9.09 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.53 5.24 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 30 V 7.81 4.72 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.87 0.00 0.00 31 C 8.97 4.74 0.00 2.99 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.84 4.42 0.00 2.90 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.80 4.49 0.00 3.16 2.83 0.00 0.00 7.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.70 3.71 0.00 1.88 1.98 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 35 W 8.34 4.50 0.00 3.26 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.84 4.83 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.17 3.81 0.00 1.70 1.62 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.65 3.81 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 39 D 8.33 4.19 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.24 3.96 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.15 4.12 0.00 4.21 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.44 3.57 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.90 0.00 0.00 43 V 7.76 3.67 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.29 0.00 0.00 44 C 8.37 4.49 0.00 3.10 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.57 4.65 0.00 1.93 2.01 0.00 3.15 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.77 0.00 46 A 7.85 4.07 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.84 4.40 0.00 2.01 1.84 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.23 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 8.15 5.01 0.00 3.21 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.89 3.97 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 51 N 8.12 4.43 0.00 2.70 2.64 0.00 0.00 6.95 8.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.45 5.18 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 9.07 4.50 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 54 Q 7.95 4.68 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 55 A 8.74 5.11 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 9.41 4.81 0.00 1.71 1.55 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.01 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 10.02 3.72 0.00 1.87 1.98 0.00 3.44 0.00 0.00 3.07 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 59 A 7.89 3.82 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.65 3.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.05 4.78 0.00 3.05 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 7.91 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.32 4.24 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 64 G 8.97 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.04 4.31 0.00 3.79 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.64 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.57 0.00 2.18 2.23 0.00 3.93 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 68 I 8.18 4.10 1.84 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.89 0.87 0.00 0.00 69 M 9.40 4.38 0.00 2.30 2.37 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.80 0.00 70 L 7.64 5.01 0.00 1.42 1.32 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.55 4.67 0.00 2.72 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.64 4.49 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 73 V 7.81 3.97 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.99 0.00 0.00 74 Q 9.54 4.50 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.61 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 75 C 9.19 4.73 0.00 2.82 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 T 9.13 3.81 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 77 G 8.36 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 7.20 4.39 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 79 E 7.81 4.20 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 80 A 8.48 4.20 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.44 4.73 0.00 3.89 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.63 4.08 0.00 1.79 1.73 1.21 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.91 3.70 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.82 4.67 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 C 7.58 4.73 0.00 2.93 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.19 4.31 0.00 1.82 1.80 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.36 7.81 87 S 7.82 4.84 0.00 3.94 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.95 4.13 0.00 1.56 1.72 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 89 G 7.90 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 W 8.24 4.40 0.00 2.98 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.89 3.85 0.00 1.85 1.86 1.05 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.54 4.31 0.00 1.73 1.92 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.39 7.81 93 S 7.85 4.64 0.00 3.78 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.71 4.85 0.00 2.70 2.79 0.00 0.00 7.00 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 C 7.90 4.56 0.00 2.94 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.92 4.68 0.00 2.17 1.81 0.00 3.13 0.00 0.00 3.49 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 97 H 8.83 4.61 0.00 3.20 3.41 0.00 5.89 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.19 4.19 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 99 R 8.06 4.61 0.00 1.80 2.09 0.00 3.29 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 100 D 8.00 4.82 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.77 4.11 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 9.19 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.96 5.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.01 0.00 0.00 104 V 8.73 4.55 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.13 0.00 0.00 105 C 8.91 5.23 0.00 2.15 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.49 4.14 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 107 N 8.82 4.46 0.00 2.73 2.95 0.00 0.00 6.99 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.16 4.16 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 109 T 8.14 5.15 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 *114 T 7.60 4.10 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 115 L 8.23 4.33 0.00 2.04 1.79 1.21 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.